9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene

C36H24 — CID 15201839

IUPAC9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene
SMILESC(#Cc1ccccc1)/C(=C\C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H24/c1-4-14-27(15-5-1)24-25-30(28-16-6-2-7-17-28)26-35(29-18-8-3-9-19-29)36-33-22-12-10-20-31(33)32-21-11-13-23-34(32)36/h1-23,26H/b30-26+
InChIKeyWPRPAWUWKDCFRV-URGPHPNLSA-N
MW456.59 g/mol
LogP8.76
Rot. Bonds3

About 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene

9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene (PubChem CID 15201839) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene.

Molecular Properties

Compound Name9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene
PubChem CID15201839
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene
SMILESC(#Cc1ccccc1)/C(=C\C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H24/c1-4-14-27(15-5-1)24-25-30(28-16-6-2-7-17-28)26-35(29-18-8-3-9-19-29)36-33-22-12-10-20-31(33)32-21-11-13-23-34(32)36/h1-23,26H/b30-26+
InChIKeyWPRPAWUWKDCFRV-URGPHPNLSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
10-(1-oxo-1,4-diphenylbut-3-yn-2-ylidene)anthracen-9-one
CID 59672047
[(Z)-2,4-diphenylbut-1-en-3-ynyl]-triphenylphosphanium tetrafluoroborate
CID 139185319
9-(3-phenylprop-2-ynylidene)fluorene
CID 15317729
(3E,6E)-1,3-diphenyl-6-propyldeca-3,6-dien-1-yn-5-one
CID 71769457
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
[(Z)-6-methoxy-1,6-diphenylhex-3-en-1-yn-3-yl]benzene
CID 101458062
9-benzhydrylidene-2-ethynylfluorene
CID 101435215
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
CID 155935520
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene?
The IUPAC name of 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene (CID 15201839) is 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene.
What is the SMILES notation for 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene?
The canonical SMILES for 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene is C(#Cc1ccccc1)/C(=C\C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene?
The InChIKey is WPRPAWUWKDCFRV-URGPHPNLSA-N. The full InChI is InChI=1S/C36H24/c1-4-14-27(15-5-1)24-25-30(28-16-6-2-7-17-28)26-35(29-18-8-3-9-19-29)36-33-22-12-10-20-31(33)32-21-11-13-23-34(32)36/h1-23,26H/b30-26+.
What are the key properties of 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene?
9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene has a molecular weight of 456.59 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-1,3,5-triphenylpent-2-en-4-ynylidene]fluorene is sourced from PubChem (CID 15201839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).